COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STK135401
Chemical Name: 2-{[4-benzyl-5-(4-nitrophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone
Smiles: O=C(N1CCCC1)CSc1nnc(n1Cc1ccccc1)c1ccc(cc1)[N+](=O)[O-]

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Molecular Weight: 423.5
Empirical Formula: C21H21N5O3S

Physical State: Dry powder
Available Amount: 78 mg

Lipinsky:
logP: 4.692
Rotatable bonds: 4
H-donors: 0
H-acceptors: 3
PSA: 122
Number of rings: 4

     

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